CYPstrate: A Set of Machine Learning Models for the Accurate Classification of Cytochrome P450 Enzyme Substrates and Non-Substrates

Malte Holmer, Christina de Bruyn Kops, Conrad Stork, Johannes Kirchmair

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Article number4678
Number of pages20
JournalMolecules (Basel, Switzerland)
Volume26
Issue number15
DOIs
Publication statusPublished - 2 Aug 2021

Austrian Fields of Science 2012

  • 106005 Bioinformatics
  • 301207 Pharmaceutical chemistry

Keywords

  • COMPUTATIONAL PREDICTION
  • ISOFORM
  • METABOLISM
  • P450
  • REGIOSELECTIVITY
  • SITES
  • classification
  • cytochrome P450 enzymes
  • drug metabolism prediction
  • machine learning
  • substrates
  • Cytochrome P450 enzymes
  • Drug metabolism prediction
  • Substrates
  • Classification
  • Machine learning

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